Molecule card · MolClass #52051
4262311
4262311: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4262311Mitochondrial Fusion · compound_name
- MolClass ID
- 52051
- InChIKey
- XZCLTGDQNYHRBC-UHFFFAOYSA-N
- Canonical SMILES
- COc4ccccc4(OCC(=O)N(Cc1nc(no1)c2ccccc2)C3CCCCC3)
- Standard InChI
- InChI=1S/C24H27N3O4/c1-29-20-14-8-9-15-21(20)30-17-23(28)27(19-12-6-3-7-13-19)16-22-25-24(26-31-22)18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)CN([CH]COc3ccccc3)C4CCCCC4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.575
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 4262311